N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine

C23H17F6N3 — CID 139384645

IUPACN-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine
SMILESFC(F)(F)c1ccc(/N=C/Cc2cccc(C/C=N/c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C23H17F6N3/c24-22(25,26)16-4-8-18(9-5-16)30-14-12-20-2-1-3-21(32-20)13-15-31-19-10-6-17(7-11-19)23(27,28)29/h1-11,14-15H,12-13H2/b30-14+,31-15+
InChIKeyFXDPAWQAUZISSY-WCZMLVOGSA-N
MW449.40 g/mol
LogP7.01
Rot. Bonds6

About N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine

N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine (PubChem CID 139384645) has the molecular formula C23H17F6N3 and a molecular weight of 449.40 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine
PubChem CID139384645
Molecular FormulaC23H17F6N3
Molecular Weight449.40 g/mol
Exact Mass449.13
IUPAC NameN-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine
SMILESFC(F)(F)c1ccc(/N=C/Cc2cccc(C/C=N/c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C23H17F6N3/c24-22(25,26)16-4-8-18(9-5-16)30-14-12-20-2-1-3-21(32-20)13-15-31-19-10-6-17(7-11-19)23(27,28)29/h1-11,14-15H,12-13H2/b30-14+,31-15+
InChIKeyFXDPAWQAUZISSY-WCZMLVOGSA-N
XLogP7.01
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.40
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine (CID 139384645) is N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine is FC(F)(F)c1ccc(/N=C/Cc2cccc(C/C=N/c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine?
The InChIKey is FXDPAWQAUZISSY-WCZMLVOGSA-N. The full InChI is InChI=1S/C23H17F6N3/c24-22(25,26)16-4-8-18(9-5-16)30-14-12-20-2-1-3-21(32-20)13-15-31-19-10-6-17(7-11-19)23(27,28)29/h1-11,14-15H,12-13H2/b30-14+,31-15+.
What are the key properties of N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine?
N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine has a molecular weight of 449.40 g/mol, XLogP of 7.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-2-[6-[2-[4-(trifluoromethyl)phenyl]iminoethyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 139384645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).